SCHEMBL4771907

SCHEMBL4771907

O=C(Nc1ccccc1)C1=CC=CNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PTPN1 P18031 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 3/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
CDK9 P50750 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
SIRT1 Q96EB6 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
HDAC2 Q92769 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
SCHEMBL2353807 0.77 KMT2A (0.46) ALDH1A1TSHRHPGDKMT2ALMNA
SCHEMBL12247923 0.75 HPGD (0.51) ALDH1A1PTPN1SMN1; SMN2TP53EPHX1
SCHEMBL18250666 0.72 PTPN1 (0.43) ALDH1A1PTPN1SMN1; SMN2TP53EPHX1
SCHEMBL5137967 0.69 HPGD (0.41) ALDH1A1PTPN1SMN1; SMN2TP53KDM4E
SCHEMBL8820525 0.68 PTPN1 (0.42) ALDH1A1PTPN1TP53KDM4EMEN1
SCHEMBL11188683 0.68 PTPN1 (0.42) ALDH1A1PTPN1SMN1; SMN2TP53EPHX1
SCHEMBL10985277 0.68 METAP2 (0.46) ALDH1A1PTPN1SMN1; SMN2TP53EPHX1
SCHEMBL1017726 0.67
SCHEMBL31601092 0.67 ALDH1A1 (0.38) ALDH1A1PTPN1SMN1; SMN2TP53EPHX1
SCHEMBL20512531 0.65 TP53 (0.56) ALDH1A1PTPN1SMN1; SMN2TP53EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436461-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS Incyte Corporation (US) 2019-02-06 EP claimed
WO-2017172596-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORPORATION (US) 2017-10-05 WO claimed
EP-1881976-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS Amgen Inc., (US) 2008-01-30 EP disclosed
WO-2006116713-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2006-11-02 WO disclosed