SCHEMBL20140073

SCHEMBL20140073

Cc1nc(C)c(N2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.49
PHGDH O43175 1/20 0.49
PARP1 P09874 1/20 0.48
AR P10275 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
GRM5 P41594 1/20 0.47
CFTR P13569 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL20139817 0.90 RXFP1 (0.52) TACR3PHGDHARRXFP1GRM5
SCHEMBL20139973 0.86 MTOR (0.57) TACR3PHGDHPARP1ARKDM4E
SCHEMBL20133699 0.84 MTOR (0.61) TACR3PHGDHARRXFP1GRM5
SCHEMBL20141464 0.83 MTOR (0.56) TACR3GRM5SMN1; SMN2TSHRKDM4E
SCHEMBL20133678 0.81 MTOR (0.59) TACR3PHGDHRXFP1GRM5CFTR
SCHEMBL20140097 0.79 MTOR (0.51) TACR3PHGDHPARP1KDM4EALDH1A1
SCHEMBL20140146 0.79 KDM4E (0.53) PARP1CFTRKDM4EALDH1A1MTOR
SCHEMBL20140952 0.79 NAMPT (0.54) TACR3GRM5SMN1; SMN2TSHRKDM4E
SCHEMBL20156949 0.79 MTOR (0.54) TACR3GRM5TSHRALDH1A1HTT
SCHEMBL20140278 0.79 MTOR (0.54) TACR3GRM5SMN1; SMN2TSHRKDM4E

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