SCHEMBL30813385

SCHEMBL30813385

Nc1ncnc2c1c(-c1ccc(N)c3nccn13)cn2C1CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.57
▸ RIPK2 O43353 11/20 0.53
▸ ABL1 P00519 6/20 0.52
▸ EGFR P00533 6/20 0.52
▸ ABL2 P42684 6/20 0.52
▸ RET P07949 1/20 0.48
▸ PDGFRB P09619 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ SIK1 P57059 1/20 0.47
▸ RIPK4 P57078 1/20 0.47
▸ DDR1 Q08345 1/20 0.47
▸ RIPK1 Q13546 1/20 0.47
▸ DSTYK Q6XUX3 1/20 0.47
▸ RIPK3 Q9Y572 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
SCHEMBL27217772 1.00 SRC (0.57) SRCRIPK2ABL1EGFRABL2
SCHEMBL27217867 0.96 SRC (0.58) SRCRIPK2ABL1EGFRABL2
SCHEMBL30813394 0.96 SRC (0.58) SRCRIPK2ABL1EGFRABL2
SCHEMBL27217872 0.85 SRC (0.55) SRCRIPK2ABL1EGFRABL2
SCHEMBL30813428 0.85 SRC (0.55) SRCRIPK2ABL1EGFRABL2
SCHEMBL30813461 0.82 RIPK2 (0.56) SRCRIPK2ABL1EGFRABL2
SCHEMBL27217819 0.82 RIPK2 (0.56) SRCRIPK2ABL1EGFRABL2
SCHEMBL30813404 0.81 IGF1R (0.47) SRCRIPK2ABL1EGFRABL2
SCHEMBL27217870 0.81 IGF1R (0.47) SRCRIPK2ABL1EGFRABL2
SCHEMBL30813564 0.79 SRC (0.41) SRCRIPK2ABL1EGFRABL2

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-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — WO disclosed
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