SCHEMBL31592933

SCHEMBL31592933

Fc1cc2nc(-c3cccc(Nc4ncc(-c5cscn5)cn4)c3)[nH]c2cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 6/20 0.47
▸ METAP2 P50579 5/20 0.47
▸ KDR P35968 4/20 0.44
▸ PARP1 P09874 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KIT P10721 3/20 0.41
▸ CBFB Q13951 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL31592834 0.87 KDM4E (0.56) METAP1METAP2KDM4ECYP1A2CYP3A4
SCHEMBL27040866 0.85 METAP1 (0.43) METAP1METAP2KDRKDM4ECYP1A2
SCHEMBL31592874 0.85 KIT (0.52) METAP1METAP2KDRKITCBFB
SCHEMBL31593001 0.84 CBFB (0.59) METAP1METAP2KDRPARP1KDM4E
SCHEMBL31592884 0.82 KDR (0.46) KDRPARP1KDM4ECYP1A2CYP3A4
SCHEMBL31592784 0.74 KDM4E (0.58) METAP1METAP2PARP1KDM4ECYP1A2
SCHEMBL31592820 0.74 SYK (0.47) METAP1METAP2KDRKDM4EALDH1A1
SCHEMBL31592897 0.74 CBFB (0.61) METAP1METAP2KDRKDM4EHPGD
SCHEMBL31592923 0.73 MAPT (0.50) KDRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27039941 0.72 CYP11B1 (0.55) METAP1METAP2KDRKDM4EALDH1A1

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
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP claimed
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP disclosed
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