SCHEMBL6182709

SCHEMBL6182709

COc1cc2ncnc(-c3c[nH]nc3N)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.59
EGFR P00533 7/20 0.54
RET P07949 2/20 0.43
KDR P35968 2/20 0.43
ENPP1 P22413 3/20 0.43
KDM1A O60341 1/20 0.42
LCK P06239 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GAK O14976 1/20 0.41
SRC P12931 1/20 0.41
CLK1 P49759 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6181793 0.99 KIT (0.57) KITEGFRRETKDRENPP1
SCHEMBL17780901 0.79 KIT (0.61) KITEGFRRETKDRENPP1
SCHEMBL30103402 0.76 PDE5A (0.57) KITEGFRRETKDRENPP1
SCHEMBL3166753 0.76 PDE5A (0.57) KITEGFRRETKDRENPP1
SCHEMBL8172203 0.75 KIT (0.59) KITEGFRRETKDRLCK
SCHEMBL15504611 0.74 KIT (1.00) KITEGFRRETKDRCLK1
SCHEMBL5569432 0.74 KIT (0.69) KITEGFRRETKDRENPP1
SCHEMBL6182383 0.73 EGFR (0.56) KITEGFRRETKDRKDM1A
SCHEMBL6181492 0.73 EGFR (0.72) KITEGFRRETKDR
SCHEMBL2926080 0.73 KIT (0.67) KITEGFRRETKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871448-B1 ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS WHICH INHIBIT CSF-1R RECEPTOR TYROSINE KINASE AVENTIS PHARMA INC (US) 2005-03-02 EP claimed
US-RE37650-E1 Aryl and heteroaryl quinazoline compounds which inhibit CSF-1R receptor tyrosine kinase AVENTIS PHARMACETICAL PRODUCTS, INC. 2002-04-09 US claimed
EP-0831831-A4 PROTEIN TYROSINE KINASE ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS HAVING SELECTIVE INHIBITION OF HER-2 AUTOPHOSPHORYLATION PROPERTIES RHONE POULENC RORER PHARMA (US) 1998-05-27 EP claimed
EP-0831831-A1 PROTEIN TYROSINE KINASE ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS HAVING SELECTIVE INHIBITION OF HER-2 AUTOPHOSPHORYLATION PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-04-01 EP claimed
US-5721237-A ADMINISTERING FOR THE SELECTIVE TREATMENT OF CELL GROWTH AND DIFFERENTIATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-24 US claimed
WO-1996039145-A1 PROTEIN TYROSINE KINASE ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS HAVING SELECTIVE INHIBITION OF HER-2 AUTOPHOSPHORYLATION PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-12 WO claimed