SCHEMBL30852941

SCHEMBL30852941

COc1cn2nc(Br)cc2nc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR2A P27037 4/20 0.41
▸ TGFBR2 P37173 3/20 0.41
▸ PDE10A Q9Y233 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ MAPT P10636 2/20 0.32
▸ HTR2A P28223 4/20 0.31
▸ HTR2C P28335 4/20 0.31
▸ USP2 O75604 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL30852903 0.81 ACVR2A (0.37) ACVR2ATGFBR2KDM4EALDH1A1HPGD
SCHEMBL30852920 0.81 ACVR2A (0.37) ACVR2ATGFBR2PDE10AKDM4EALDH1A1
SCHEMBL30852973 0.81 ACVR2A (0.38) ACVR2ATGFBR2KDM4EALDH1A1HPGD
SCHEMBL30852885 0.73 ACVR2A (0.41) ACVR2ATGFBR2PDE10AKDM4EALDH1A1
SCHEMBL31639341 0.72 PDE10A (0.34) ACVR2ATGFBR2PDE10AKDM4EALDH1A1
SCHEMBL30632316 0.71 JUND (0.34) ACVR2ATGFBR2PDE10AKDM4EALDH1A1
SCHEMBL31639231 0.69 HPGD (0.34) ACVR2ATGFBR2PDE10AKDM4EALDH1A1
SCHEMBL31639301 0.69 KDM4E (0.34) PDE10AKDM4EALDH1A1HPGDMEN1
SCHEMBL31639289 0.68 KDM4E (0.36) PDE10AKDM4EALDH1A1HPGDMEN1
SCHEMBL30698334 0.67 KDM4E (0.32) KDM4EALDH1A1MAPT

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-4598539-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-08-13 — — EP disclosed
WO-2024076614-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-04-11 — — WO disclosed
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