SCHEMBL22678034

SCHEMBL22678034

Cn1cc(C2CCNCC2)c2c(N)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 10/20 0.41
▸ EGFR P00533 4/20 0.41
▸ FGR P09769 1/20 0.41
▸ EPHA1 P21709 1/20 0.41
▸ TXK P42681 1/20 0.41
▸ FRK P42685 1/20 0.41
▸ PTK6 Q13882 1/20 0.41
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ LCK P06239 2/20 0.40
▸ TEK Q02763 1/20 0.40
▸ ABL1 P00519 5/20 0.40
▸ ABL2 P42684 3/20 0.40
▸ METTL3 Q86U44 2/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PRKD3 O94806 1/20 0.37
▸ PRKD1 Q15139 1/20 0.37
▸ PRKD2 Q9BZL6 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
SCHEMBL29452477 0.80 RET (0.41) SRCLCKTEKABL1METTL3
SCHEMBL26109077 0.80 RET (0.41) SRCLCKABL1METTL3PRMT5
SCHEMBL30582581 0.80 RET (0.41) SRCLCKABL1METTL3PRMT5
SCHEMBL28690889 0.78 PRMT5 (0.43) SRCEGFRMETTL3PRMT5WDR77
SCHEMBL28844238 0.75 RORC (0.39) —
SCHEMBL29407719 0.73 DYRK1A (0.49) SRCEGFRFGREPHA1TXK
SCHEMBL22676700 0.73 DYRK1A (0.49) SRCEGFRFGREPHA1TXK
SCHEMBL22676717 0.73 SRC (0.52) SRCEGFRABL1ABL2RET
SCHEMBL10261381 0.69 FGR (0.57) SRCEGFRFGREPHA1TXK
SCHEMBL463027 0.69 ADK (0.48) SRCEGFRFRKPTK6LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 — — WO disclosed
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