SCHEMBL7837582

SCHEMBL7837582

O=C1C=c2cc(Oc3ncnc4ncccc34)ccc2=N1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.35
DRD1 P21728 1/20 0.32
FLT3 P36888 1/20 0.31
KDR P35968 1/20 0.31
TRPA1 O75762 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7829574 0.81 LMNA (0.36) EGFRKDRNPC1MAPT
SCHEMBL7839823 0.79 EGFR (0.36) EGFRDRD1KDRTRPA1
SCHEMBL7840014 0.76 PDPK1 (0.43) NPC1MAPT
SCHEMBL8813155 0.75 NPC1 (0.32) EGFRNPC1
SCHEMBL7821542 0.71 NPC1 (0.43) EGFRDRD1NPC1MAPT
SCHEMBL7833358 0.71 EIF2AK2 (0.43) EGFRKDR
SCHEMBL3781844 0.66 AADAT (0.60)
SCHEMBL7348448 0.66 MAPT (0.42) NPC1MAPT
SCHEMBL7347464 0.64 TOP1 (0.49) NPC1
SCHEMBL30446689 0.64 TDP1 (0.45) FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP claimed