SCHEMBL21815528

SCHEMBL21815528

COC(C=O)(c1cncnc1)N1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL22188710 0.83 ADRB2 (0.39) CHRNB2CHRNA4
SCHEMBL3624304 0.79 KMT2A (0.38)
SCHEMBL21815523 0.64 HPGD (0.38) CHRNB2CHRNA4
SCHEMBL21815525 0.63 HPGD (0.43) CHRNB2CHRNA4
SCHEMBL28200382 0.63 HPGD (0.33)
Tert-Butyl Formate SCHEMBL28289206 0.60 SIGMAR1 (0.42)
SCHEMBL21815529 0.60 RAB9A (0.35) CHRNB2CHRNA4
SCHEMBL4125494 0.60 CYP2B6 (0.41)
SCHEMBL27936066 0.58 HTR3E (0.36)
SCHEMBL21815524 0.58 CHRM2 (0.36) CYP19A1

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-3856348-A1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 ABD/OR FGFR MODULATORS Incyte Corporation (US) 2021-08-04 EP disclosed
WO-2020068729-A1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 ABD/OR FGFR MODULATORS INCYTE CORPORATION (US) 2020-04-02 WO disclosed