SCHEMBL30092502

SCHEMBL30092502

CCOC(=O)c1cnn2ccc(N(C)Cc3cc(F)ccc3S)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 6/20 0.48
▸ KDM4E B2RXH2 6/20 0.46
▸ HPGD P15428 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TGFBR1 P36897 3/20 0.44
▸ TSHR P16473 2/20 0.40
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ NTRK3 Q16288 2/20 0.38
▸ NTRK2 Q16620 2/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ GAA P10253 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38

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
SCHEMBL16946746 1.00 NTRK1 (0.48) NTRK1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL16935988 0.91 NTRK1 (0.49) NTRK1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL29511265 0.91 NTRK1 (0.49) NTRK1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL16935987 0.90 NTRK1 (0.48) NTRK1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL19614122 0.89 NTRK1 (0.49) NTRK1TGFBR1NTRK3NTRK2JAK2
SCHEMBL16936087 0.86 NTRK1 (0.45) NTRK1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL16946781 0.86 NTRK1 (0.46) NTRK1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL16946892 0.82 TGFBR1 (0.45) NTRK1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL16946890 0.80 TGFBR1 (0.44) NTRK1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL16946723 0.80 NTRK1 (0.50) NTRK1TGFBR1NTRK3NTRK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50634-E1 Diaryl macrocycles as modulators of protein kinases Turning Point Therapeutics, Inc. (US) 2025-10-14 — — US disclosed
EP-4338739-A2 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. (US) 2024-03-20 — — EP disclosed
EP-3636649-B1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2024-02-14 — — EP disclosed
EP-3572416-B1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2022-09-21 — — EP disclosed
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