SCHEMBL25779366

SCHEMBL25779366

c1cc2[nH]c3nccc4c3c2c(c1)c1cccc2c3ccccc3n4c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 5/20 0.40
ERBB2 P04626 4/20 0.40
AURKA O14965 4/20 0.40
ALK Q9UM73 2/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
ACVR1 Q04771 1/20 0.40
AURKC Q9UQB9 1/20 0.40
AURKB Q96GD4 1/20 0.38
UTS2R Q9UKP6 5/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
IDO1 P14902 1/20 0.34
PTPN1 P18031 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
SCHEMBL18933750 0.84 IMPDH2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25779385 0.80 GABRA1 (0.41) UTS2RGABRA1GABRG2GABRB3GABRA5
SCHEMBL25779348 0.80 GABRA1 (0.44) UTS2RGABRA1GABRG2GABRB3GABRA5
SCHEMBL25779433 0.77 TSHR (0.39) EGFR
SCHEMBL26772487 0.76 IDO1 (0.39) PTK6ERBB2AURKAALKEGFR
SCHEMBL19827749 0.76 GABRP (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31722759 0.75 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25779357 0.74 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16621623 0.74 PTPN1 (0.40) UTS2RGABRA1GABRG2GABRB3GABRA5
SCHEMBL24961630 0.73 GABRP (0.41) ERBB2GABRA1GABRG2GABRB3GABRA5

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
US-20230301189-A1 ORGANIC ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-21 US disclosed
US-20230200227-A1 ORGANIC ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-06-22 US disclosed