SCHEMBL29520387

SCHEMBL29520387

Cc1cc(N=O)ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 8/20 0.43
ALK Q9UM73 8/20 0.43
RET P07949 8/20 0.42
ROS1 P08922 8/20 0.42
FLT3 P36888 8/20 0.42
FGFR3 P22607 1/20 0.41
EGFR P00533 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACVR1 Q04771 1/20 0.37

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
SCHEMBL10157222 1.00 EML4 (0.43) EML4ALKRETROS1FLT3
SCHEMBL10157374 0.95 ALDH1A1 (0.42) EML4ALKRETROS1FLT3
SCHEMBL15759136 0.83 MAPT (0.48) EML4ALKRETROS1FLT3
SCHEMBL10035939 0.81 MAPT (0.56) EML4ALKRETROS1FLT3
SCHEMBL10157197 0.81 HTR1A (0.45) FGFR3SMN1; SMN2
SCHEMBL10157382 0.80 ALDH1A1 (0.44) FGFR3GAA
SCHEMBL10203102 0.80 ALDH1A1 (0.43) EML4ALKRETROS1FLT3
SCHEMBL10155996 0.79 CYP3A4 (0.41) EML4ALKROS1FLT3FGFR3
SCHEMBL12127788 0.78 EML4 (0.47) EML4ALKRETROS1FLT3
SCHEMBL10157386 0.78 FGFR3 (0.47) FGFR3SMN1; SMN2

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
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed