SCHEMBL3147327

SCHEMBL3147327

COc1ccc([C@H](C)Nc2nccnc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 2/20 0.51
IDH1 O75874 2/20 0.48
ALDH1A1 P00352 4/20 0.46
EGFR P00533 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
VNN1 O95497 1/20 0.41
KCNH3 Q9ULD8 1/20 0.40
P2RX3 P56373 1/20 0.39
LMNA P02545 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ACP3 P15309 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL19205818 0.84 ATP1A1 (0.49) GAASMN1; SMN2ALDH1A1P2RX3KDM4E
SCHEMBL19205819 0.84 ATP1A1 (0.49) GAASMN1; SMN2ALDH1A1P2RX3KDM4E
SCHEMBL18483488 0.83 IDH1 (0.45) GAASMN1; SMN2IDH1ALDH1A1EGFR
SCHEMBL18483484 0.83 IDH1 (0.45) GAASMN1; SMN2IDH1ALDH1A1EGFR
SCHEMBL18483206 0.81 ALDH1A1 (0.55) RAB9AGAASMN1; SMN2MAPTIDH1
SCHEMBL18449481 0.81 ALDH1A1 (0.55) RAB9AGAASMN1; SMN2MAPTIDH1
SCHEMBL19205648 0.81 ALDH1A1 (0.55) RAB9AGAASMN1; SMN2MAPTIDH1
SCHEMBL11107782 0.78 EGFR (0.47) RAB9ASMN1; SMN2NPC1MAPTIDH1
SCHEMBL11108087 0.75 EGFR (0.47) RAB9ASMN1; SMN2NPC1MAPTIDH1
SCHEMBL29019896 0.75 ALDH1A1 (0.43) IDH1ALDH1A1EGFRCA1CA2

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-1511742-B1 KINASE INHIBITORS CYTOPIA RES PTY LTD (AU) 2010-02-03 EP disclosed