SCHEMBL5653845

SCHEMBL5653845

Nc1cnc(NC(=O)c2ccccc2Cl)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
JAK2 O60674 1/20 0.53
TYK2 P29597 1/20 0.53
GRM4 Q14833 2/20 0.52
CYP11B2 P19099 1/20 0.52
POLB P06746 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
RAB9A P51151 2/20 0.49
SMO Q99835 1/20 0.49
F2 P00734 1/20 0.48
MAPT P10636 1/20 0.48
KDR P35968 1/20 0.48

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
SCHEMBL5652633 0.80 KMT2A (0.54) HPGDCYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6106401 0.78 FADS1 (0.59) SMN1; SMN2KDM4EALDH1A1POLBRAB9A
SCHEMBL27804869 0.77 KMT2A (0.53) HPGDCYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL678202 0.77 LMNA (0.55) CYP1A2CYP2C19SMN1; SMN2JAK2TYK2
SCHEMBL5648375 0.76 NPC1 (0.54) HPGDCYP2C19SMN1; SMN2ALDH1A1POLB
SCHEMBL6819083 0.76 SMO (0.71) HPGDCYP1A2CYP2C19SMN1; SMN2JAK2
SCHEMBL24074617 0.75 SMN1; SMN2 (0.52) HPGDCYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL12190166 0.75 CYP11B2 (0.63) SMN1; SMN2ALDH1A1JAK2TYK2GRM4
SCHEMBL821907 0.73 RAB9A (0.58) HPGDCYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL5649097 0.73 KCNQ3 (0.61) HPGDCYP1A2CYP2C19SMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed