SCHEMBL20140748

SCHEMBL20140748

C[C@@H]1CN(c2ccc(F)cn2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 9/20 0.49
HDAC1 Q13547 1/20 0.49
CSNK1E P49674 1/20 0.47
GRM1 Q13255 1/20 0.46
FGFR1 P11362 4/20 0.46
FGFR2 P21802 2/20 0.46
FGFR3 P22607 1/20 0.46
ZAP70 P43403 3/20 0.43
GPR119 Q8TDV5 1/20 0.42
CDK4 P11802 1/20 0.41
CDK6 Q00534 1/20 0.41
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40

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
SCHEMBL20140822 1.00 ACVR1 (0.49) ACVR1HDAC1CSNK1EGRM1FGFR1
Hydrochloric Acid SCHEMBL31046079 0.98 ACVR1 (0.48) ACVR1HDAC1CSNK1EGRM1FGFR1
SCHEMBL14186234 0.83 ACVR1 (0.50) ACVR1HDAC1FGFR1FGFR2FGFR3
SCHEMBL232428 0.83 ACVR1 (0.50) ACVR1HDAC1FGFR1FGFR2FGFR3
SCHEMBL5269599 0.82 ACVR1 (0.49) ACVR1HDAC1FGFR1FGFR2FGFR3
SCHEMBL2246752 0.82 ACVR1 (0.49) ACVR1HDAC1FGFR1FGFR2FGFR3
SCHEMBL24954334 0.81 ACVR1 (0.47) ACVR1HDAC1CSNK1EFGFR1FGFR2
SCHEMBL1472680 0.81 KDM4E (0.49) ACVR1HDAC1GPR119
SCHEMBL1470405 0.81 KDM4E (0.49) ACVR1HDAC1GPR119
SCHEMBL1470403 0.81 KDM4E (0.49) ACVR1HDAC1GPR119

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed