SCHEMBL8975191

SCHEMBL8975191

C[C@@H](Nc1ncnc2cc(Cl)ccc12)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.70
NR2F2 P24468 1/20 0.70
EGFR P00533 8/20 0.63
KRAS P01116 1/20 0.63
SOS1 Q07889 1/20 0.63
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
CNR1 P21554 4/20 0.54
CNR2 P34972 4/20 0.54
TNF P01375 1/20 0.53
RAB9A P51151 1/20 0.53
NOD1 Q9Y239 1/20 0.53
PPARG P37231 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NR2E3 Q9Y5X4 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL8975390 1.00 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL8974915 1.00 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL9921358 0.89 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL13170943 0.89 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL9921344 0.89 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL17181108 0.83 GALR3 (1.00) GALR3NR2F2EGFRKRASSOS1
SCHEMBL5312802 0.83 GALR3 (1.00) GALR3NR2F2EGFRKRASSOS1
SCHEMBL4538841 0.81 EGFR (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL4538845 0.81 EGFR (0.70) GALR3NR2F2EGFRKRASSOS1
Hydrochloric Acid SCHEMBL7222518 0.80 EGFR (0.68) GALR3NR2F2EGFRKRASSOS1

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-0705253-A1 ARALKYLAMINOQUINAZOLINES BAYER AG (DE) 1996-04-10 EP disclosed
EP-0705253-A1 ARALKYLAMINOQUINAZOLINES BAYER AG (DE) 1996-04-10 EP disclosed
WO-1995000496-A1 ARALKYLAMINOQUINAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 1995-01-05 WO disclosed
WO-1995000496-A1 ARALKYLAMINOQUINAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 1995-01-05 WO disclosed