SCHEMBL27315260

SCHEMBL27315260

CCCc1ccc(NC(=O)c2cc(C3CCCC3)n(NC)c2C(=N)N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ KDR P35968 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ ABCG2 Q9UNQ0 6/20 0.37
▸ RET P07949 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ F13A1 P00488 1/20 0.35
▸ TGM2 P21980 1/20 0.35

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
SCHEMBL27315261 0.74 RET (0.47) RET
SCHEMBL27315239 0.64 RET (0.51) RET
SCHEMBL9978841 0.63 TRPV1 (0.58) KDRABCG2
SCHEMBL1953148 0.63 ALDH1A1 (0.56) F13A1TGM2MAPT
SCHEMBL12514072 0.63 AOC3 (0.44) F13A1TGM2
SCHEMBL27315234 0.62 RET (0.56) RET
SCHEMBL14349959 0.61 KMT2A (0.70) KMT2ATP53MAPT
SCHEMBL15014154 0.61 FADS1 (0.54) KDRABCG2RETKMT2A
SCHEMBL10694927 0.61 TRPV1 (0.52) F2PLGPLAUPLATKLKB1
SCHEMBL29536796 0.61 — —

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-2024097980-A1 RET-LDD PROTEIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 — — WO disclosed
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