SCHEMBL16685800

SCHEMBL16685800

COc1ccc(COc2cnc(Cl)nc2Nc2ccc(F)cc2C2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ SLC6A3 Q01959 4/20 0.41
▸ HTR1A P08908 3/20 0.41
▸ CNR2 P34972 3/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ TRPC6 Q9Y210 1/20 0.37
▸ CSF1R P07333 3/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ ABHD6 Q9BV23 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ INSR P06213 1/20 0.34
▸ ALK Q9UM73 1/20 0.34

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
SCHEMBL16685644 0.83 CSF1R (0.41) CSF1RKITINSRALKNPC1
SCHEMBL16685677 0.74 KMT2A (0.36) NPC1RAB9A
SCHEMBL20564007 0.72 HTR6 (0.40) CNR2CNR1
SCHEMBL31340957 0.71 KMT2A (0.36) CSF1RNTRK1NTRK3NTRK2KIT
SCHEMBL16684837 0.71 FLT1 (0.54) CSF1RALK
SCHEMBL16684919 0.71 EGFR (0.47) CSF1RALDH1A1GAA
SCHEMBL25947466 0.69 MAPT (0.43) CDK9NPC1RAB9AGAA
SCHEMBL16685622 0.69 NPC1 (0.48) CSF1RNTRK1NTRK3NTRK2ALDH1A1
SCHEMBL16914145 0.68 NPC1 (0.37) CSF1RNTRK1NTRK3NTRK2ALDH1A1
SCHEMBL4823621 0.68 GAA (0.58) ALDH1A1ALKNPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066697-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 — — WO disclosed
WO-2015066697-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 — — WO disclosed
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