SCHEMBL29682741

SCHEMBL29682741

COc1cc2nc(-c3cccc(Br)n3)cn2nc1C(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.34
▸ F2RL3 Q96RI0 9/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SUV39H2 Q9H5I1 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL30632338 0.79 PIK3CD (0.40) PIK3CG
SCHEMBL30632316 0.79 JUND (0.34) F2RL3NPC1RAB9AKDM4EALDH1A1
SCHEMBL24542639 0.78 FYN (0.39) —
SCHEMBL29682887 0.78 FYN (0.39) —
SCHEMBL30632342 0.77 KCNJ6 (0.31) F2RL3
SCHEMBL29370090 0.71 SUV39H2 (0.38) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL30852920 0.70 ACVR2A (0.37) KDM4EALDH1A1HPGDTP53TSHR
SCHEMBL29682665 0.67 KDM4E (0.37) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL29372633 0.65 RAB9A (0.36) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL29683133 0.65 TGFBR1 (0.33) NPC1RAB9AKDM4ESMN1; SMN2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4262802-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2023-10-25 — — EP disclosed
CN-116887834-A Polycyclic IRAK and flt3 inhibiting compounds and uses thereof 儿童医院医学中心 2023-10-13 — — CN disclosed
WO-2022132936-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-06-23 — — WO disclosed
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